1-(4-methoxy-2-methylphenyl)piperazine

C12H18N2O — CID 10750797

IUPAC1-(4-methoxy-2-methylphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C12H18N2O/c1-10-9-11(15-2)3-4-12(10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyQACLELNFVSMAIZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)piperazine

1-(4-methoxy-2-methylphenyl)piperazine (PubChem CID 10750797) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)piperazine
PubChem CID10750797
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-methoxy-2-methylphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C12H18N2O/c1-10-9-11(15-2)3-4-12(10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyQACLELNFVSMAIZ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)piperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)piperazine (CID 10750797) is 1-(4-methoxy-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)piperazine is COc1ccc(N2CCNCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)piperazine?
The InChIKey is QACLELNFVSMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-9-11(15-2)3-4-12(10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)piperazine?
1-(4-methoxy-2-methylphenyl)piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)piperazine is sourced from PubChem (CID 10750797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).